Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments
- Авторлар: Petrov A.1, Semenov K.1, Murin I.1
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Мекемелер:
- St. Petersburg State University
- Шығарылым: Том 88, № 3 (2018)
- Беттер: 610-612
- Бөлім: Letters to the Editor
- URL: https://journals.rcsi.science/1070-3632/article/view/222111
- DOI: https://doi.org/10.1134/S1070363218030374
- ID: 222111
Дәйексөз келтіру
Аннотация
The electronic structure of fullerene C60 derivatives containing malonic acid fragments used as dopants in nanocomposite polymer electrolytic membranes was calculated by the density functional method. Charge states of atoms, thus determined, are necessary for molecular-dynamic simulation of proton mobility in these membranes.
Негізгі сөздер
Авторлар туралы
A. Petrov
St. Petersburg State University
Хат алмасуға жауапты Автор.
Email: a.petrov@spbu.ru
Ресей, Universitetskaya nab. 7–9, St. Petersburg, 199034
K. Semenov
St. Petersburg State University
Email: a.petrov@spbu.ru
Ресей, Universitetskaya nab. 7–9, St. Petersburg, 199034
I. Murin
St. Petersburg State University
Email: a.petrov@spbu.ru
Ресей, Universitetskaya nab. 7–9, St. Petersburg, 199034
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